Predicted ligand
sequences


ADAN-name: 1OPK2.PDB (view again the scoring matrix)

PDB name: [1OPK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P T I Y G V S P
position 1 2 3 4 5 6 7 8 9
poly-Ala A A
A
A
A
G
A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 1.233 ΔGbinding -10.770
TOTAL
-9.537
Backbone Hb -1.310 Cis_bond 0.000
Sidechain Hb -1.260 Torsional clash 0.000
Van der Waals -6.800 Backbone clash 0.290
Electrostatics -0.170 Helix dipole 0.000
Solvation Polar 5.430 Water bridges -0.030
Solvation Hyd -10.250 Disulfide 0.000
VdW clashes 0.160 Electrost. Kon -0.190
Entropy sc 2.150 Part.cov.bonds 0.000
Entropy mc

1.490

ΔGstability

-3.710

       

Predicted ligand sequences for template [1OPK2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).

 
  1OPK2.PDB  

(data)

# Predicted Sequences Value Calculate
1 RPRMKGPNP 0.0
2 RWRMKGPNP 0.01
3 RPRMKGGNP 0.03
4 RPRMPGPNP 0.03
5 RWRMKGGNP 0.03
6 RPRMKGINP 0.04
7 RWRMKGINP 0.04
8 RWRMPGPNP 0.04
9 RPRMRGPNP 0.06
10 RWRMRGPNP 0.06
11 RPRMPGGNP 0.06
12 RPRMPGINP 0.07
13 RWRMPGGNP 0.07
14 RWRMPGINP 0.08
15 RWRMRGGNP 0.09
16 RPRMRGGNP 0.09
17 RWHMKGPNP 0.09
18 RPHMKGPNP 0.09
19 RWRMRGINP 0.1
20 RPRMRGINP 0.1
21 RPHMPGPNP 0.12
22 RPHMKGGNP 0.12
23 RWHMKGGNP 0.12
24 RWHMKGINP 0.13
25 RWHMPGPNP 0.13
26 RPRMKGPSP 0.13
27 RPHMKGINP 0.13
28 RWRMKGPSP 0.13
29 RPHMRGPNP 0.14
30 RPHMPGGNP 0.15
31 RWHMRGPNP 0.15
32 RPFMKGPNP 0.15
33 RPRMKGPTP 0.16
34 RPRIKGPNP 0.16
35 RWRMKGGSP 0.16
36 RWRMKGPTP 0.16
37 RWRIKGPNP 0.16
38 RPRMPGPSP 0.16
39 RPRMKGGSP 0.16
40 RWFMKGPNP 0.16
41 RWHMPGGNP 0.16
42 RPHMPGINP 0.16
43 RWRMKGISP 0.17
44 RWHMPGINP 0.17
45 RPRMKGISP 0.17
46 RWRMPGPSP 0.17
47 RPHMRGGNP 0.17
48 RPFMPGPNP 0.18
49 RWHMRGGNP 0.18
50 RPFMKGGNP 0.18
51 RPRMPGGSP 0.19
52 RWRMRGPSP 0.19
53 RWRMPGPTP 0.19
54 RPRIPGPNP 0.19
55 RWRIKGGNP 0.19
56 RWRMKGGTP 0.19
57 RPHMRGINP 0.19
58 RWFMPGPNP 0.19
59 RPFMKGINP 0.19
60 RPRMRGPSP 0.19
61 RPRIKGGNP 0.19
62 RWHMRGINP 0.19
63 RWFMKGGNP 0.19
64 RPRMPGPTP 0.19
65 RPRMKGGTP 0.19
66 RWRIKGINP 0.2
67 RPRMPGISP 0.2
68 RPRIKGINP 0.2
69 RWRMKGITP 0.2
70 RWFMKGINP 0.2
71 RWRIPGPNP 0.2
72 RWRMPGGSP 0.2
73 RPRMKGITP 0.2
74 RPFMPGGNP 0.21
75 RPRIRGPNP 0.21
76 RPFMRGPNP 0.21
77 RWFMRGPNP 0.21
78 RPRMRGPTP 0.21
79 RWRMPGISP 0.21
80 RWRMPGGTP 0.22
81 RWRIRGPNP 0.22
82 RWRMRGGSP 0.22
83 RPRMRGGSP 0.22
84 RWHMKGPSP 0.22
85 RPRMPGGTP 0.22
86 RPRIPGGNP 0.22
87 RPFMPGINP 0.22
88 RPHMKGPSP 0.22
89 RWRMRGPTP 0.22
90 RWFMPGGNP 0.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 RWRMRGGNP

1.45

-12.81

-11.36

2 RPHMRGPNP

1.13

-12.45

-11.32

3 RPRMPGGNP

1.17

-12.45

-11.28

4 RPRMKGINP

1.1

-12.36

-11.26

5 RPRMRGPNP

1.26

-12.45

-11.19

6 RPRMRGINP

1.27

-12.38

-11.11

7 RPHMKGPNP

1.2

-12.26

-11.06

8 RPRMRGGNP

1.19

-12.19

-11.0

9 RPHMKGGNP

1.14

-11.98

-10.84

10 RPRMKGPNP

1.21

-11.94

-10.73

11 RPHMKGINP

1.22

-11.91

-10.69

12 RWRMKGPNP

1.16

-11.83

-10.67

13 RPHMPGPNP

1.23

-11.88

-10.65

14 RPRMPGINP

1.2

-11.81

-10.61

15 RPRMPGPNP

1.36

-11.84

-10.48

16 RPHMPGGNP

1.07

-11.51

-10.44

17 RPRMKGGNP

1.2

-11.6

-10.4

18 RWRMKGINP

1.36

-11.69

-10.33

19 RPRMKGPSP

1.46

-11.71

-10.25

20 RWRMPGGNP

1.13

-11.33

-10.2

21 RWRMKGGNP

1.17

-11.24

-10.07

22 RWRMKGPSP

1.48

-11.48

-10.0

23 RWHMKGGNP

1.27

-11.21

-9.94

24 RWRMPGINP

1.16

-11.05

-9.89

25 RWHMKGPNP

1.36

-11.18

-9.82

26 RWRMRGPNP

1.39

-11.17

-9.78

27 RWRMPGPNP

1.19

-10.91

-9.72

28 RWRMRGINP

1.37

-11.08

-9.71

29 RWHMPGPNP

1.34

-10.84

-9.5

30 RWHMKGINP

1.26

-10.28

-9.02

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.


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